CID 110660

5455-81-2

Structural Information

Molecular Formula
C9H8Br2O3
SMILES
C1C2C3C(C1C(C2Br)Br)C(=O)OC3=O
InChI
InChI=1S/C9H8Br2O3/c10-6-2-1-3(7(6)11)5-4(2)8(12)14-9(5)13/h2-7H,1H2
InChIKey
HHFFMUZIOYHTFC-UHFFFAOYSA-N
Compound name
8,9-dibromo-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.88403 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89131 160.2
[M+Na]+ 344.87325 173.0
[M-H]- 320.87675 168.3
[M+NH4]+ 339.91785 184.1
[M+K]+ 360.84719 160.1
[M+H-H2O]+ 304.88129 170.9
[M+HCOO]- 366.88223 173.7
[M+CH3COO]- 380.89788 174.5
[M+Na-2H]- 342.85870 162.5
[M]+ 321.88348 194.0
[M]- 321.88458 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe